8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one

C9H17N2O2+ — CID 46202674

IUPAC8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
SMILESC[N+]1(C)CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C9H16N2O2/c1-11(2)5-3-9(4-6-11)7-10-8(12)13-9/h3-7H2,1-2H3/p+1
InChIKeyZFHRZQNLSFQWGV-UHFFFAOYSA-O
MW185.25 g/mol
LogP0.34
Rot. Bonds

About 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one

8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one (PubChem CID 46202674) has the molecular formula C9H17N2O2+ and a molecular weight of 185.25 g/mol. Its IUPAC name is 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
PubChem CID46202674
Molecular FormulaC9H17N2O2+
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
SMILESC[N+]1(C)CCC2(CC1)CNC(=O)O2
InChIInChI=1S/C9H16N2O2/c1-11(2)5-3-9(4-6-11)7-10-8(12)13-9/h3-7H2,1-2H3/p+1
InChIKeyZFHRZQNLSFQWGV-UHFFFAOYSA-O
XLogP0.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-((4-hydroxypiperidin-4-yl)methyl)carbamate
CID 10868112
3-Chloro-8,8-dimethyl-2-oxo-1-oxa-3-aza-8-azoniaspiro[4.5]decane chloride
CID 46202013
1-Oxa-3,8-diazaspiro(4.5)decan-2-one, 8-dimethylsulfamoyl-, hydrochloride
CID 3057777
Tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 7062127
tert-butyl N-(((1R,5S,6R)-3-azabicyclo(3.1.0)hexan-6-yl)methyl)carbamate
CID 15713440
tert-Butyl 2,8-diazaspiro(4.5)decane-8-carboxylate
CID 23282900
Tert-butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate
CID 23548219
tert-Butyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 34178604
tert-Butyl 4-hydroxy-4-[(methylamino)methyl]piperidine-1-carboxylate
CID 39348378
3-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944312
1-Oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944313
tert-Butyl 4-(aminomethyl)-4-methoxypiperidine-1-carboxylate
CID 53399259

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The IUPAC name of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one (CID 46202674) is 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one.
What is the SMILES notation for 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The canonical SMILES for 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one is C[N+]1(C)CCC2(CC1)CNC(=O)O2.
What is the InChIKey of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
The InChIKey is ZFHRZQNLSFQWGV-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2O2/c1-11(2)5-3-9(4-6-11)7-10-8(12)13-9/h3-7H2,1-2H3/p+1.
What are the key properties of 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one?
8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one has a molecular weight of 185.25 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one is sourced from PubChem (CID 46202674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).